SCHEMBL30813684

SCHEMBL30813684

COc1ccc(CNc2ncnc3c2c(-c2ccc(NC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c4nccn24)cn3C2CCN(C)CC2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NEK7 Q8TDX7 12/20 0.47
▸ BRAF P15056 2/20 0.38
▸ KDR P35968 3/20 0.36
▸ KIT P10721 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27217896 1.00 NEK7 (0.47) NEK7BRAFKDRKITKCNH2
SCHEMBL30813341 0.94 NEK7 (0.47) NEK7BRAFKDRKITKCNH2
SCHEMBL27217873 0.94 NEK7 (0.47) NEK7BRAFKDRKITKCNH2
SCHEMBL27217954 0.93 NEK7 (0.45) NEK7BRAFKDRKITKCNH2
SCHEMBL30813609 0.93 NEK7 (0.45) NEK7BRAFKDRKITKCNH2
SCHEMBL27217963 0.92 NEK7 (0.55) NEK7BRAF
SCHEMBL30813624 0.91 BRAF (0.41) NEK7BRAFKDRKITKCNH2
SCHEMBL27217883 0.91 BRAF (0.41) NEK7BRAFKDRKITKCNH2
SCHEMBL27217639 0.89 NEK7 (0.44) NEK7BRAFKDRKITKCNH2
SCHEMBL30813528 0.88 BRAF (0.40) NEK7BRAFKDRKITKCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059200-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-03-21 — — WO disclosed
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